SCHEMBL7634705

SCHEMBL7634705

CCCCCCCCCCCCCCCCCCN(C)C(=O)c1ccccc1COCCCCCl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.42
LMNA P02545 2/20 0.42
ALDH1A1 P00352 2/20 0.42
CYP3A4 P08684 2/20 0.41
HDAC6 Q9UBN7 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
NR1I2 O75469 1/20 0.41
CHRM2 P08172 1/20 0.41
ADRA2A P08913 1/20 0.41
MAPT P10636 1/20 0.41
OPRK1 P41145 1/20 0.41
HTR2B P41595 1/20 0.41
SLC6A3 Q01959 1/20 0.41
TP53 P04637 1/20 0.40
MAPK1 P28482 1/20 0.40
CYP1A2 P05177 1/20 0.40
GAA P10253 1/20 0.40
HPGD P15428 1/20 0.40
THRA P10827 3/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8204132 0.91 TSHR (0.44) TSHRLMNAALDH1A1CYP3A4HDAC6
SCHEMBL7637320 0.87 THRA (0.43) TSHRLMNAALDH1A1CYP3A4HDAC6
SCHEMBL8205114 0.81 KDM4E (0.45) ALDH1A1CHRM2HTR2BMAPK1CYP1A2
SCHEMBL7638368 0.78 THRB (0.43) ALDH1A1THRATHRBKDM4ETDP1
SCHEMBL7639416 0.78 TSHR (0.51) TSHRLMNAALDH1A1HDAC6TP53
SCHEMBL7634558 0.78 TSHR (0.51) TSHRLMNAALDH1A1HDAC6TP53
SCHEMBL27870368 0.77 TSHR (0.55) TSHRLMNAALDH1A1CYP3A4HDAC6
SCHEMBL7641083 0.76 LMNA (0.43) TSHRLMNAALDH1A1CYP3A4HDAC6
SCHEMBL4564517 0.76 TSHR (0.54) TSHRLMNAALDH1A1CYP3A4HDAC6
SCHEMBL7637361 0.75 HTT (0.50) TSHRALDH1A1HPGDTHRATHRB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0911320-B1 1,2-Di-substituted benzenecarboxamide derivative, hair growth promoter and external composition for skin using the same SHISEIDO CO LTD (JP) 2002-07-24 EP disclosed
US-6114325-A 1,2-di-substituted benzene-carboxamide derivative, hair growth promoter and external composition for skin using the same SHISEIDO CO., LTD. (JP) 2000-09-05 US disclosed
EP-0911320-A2 1,2-Di-substituted benzenecarboxamide derivative, hair growth promoter and external composition for skin using the same SHISEIDO COMPANY LIMITED (JP) 1999-04-28 EP disclosed